public class ChemGraph extends Object
Constructor and Description |
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ChemGraph(IAtomContainer chrom) |
Modifier and Type | Method and Description |
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int |
getNumAtoms() |
List<Integer> |
getSubgraph() |
List<Integer> |
pickBFgraph() |
List<Integer> |
pickDFgraph() |
void |
setNumAtoms(int numatoms) |
void |
setSubgraph(List<Integer> subgraph) |
public ChemGraph(IAtomContainer chrom)